Geometry & MOs

Info

ID:	124515
PubChem CID:	50885932
Reduced:	ClN2O5H25C26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	445.00803
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	8.07
IP(EA), eV:	-9.46(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]phenol

Drug info:

PubChemData

Smile

CCCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OC(C)C)/C(=C(C1=O)C#N)C

DOS

IR

Vibrations